2-[(Z)-tetradec-11-enyl]sulfanylpropanamide

C17H33NOS — CID 139930621

IUPAC2-[(Z)-tetradec-11-enyl]sulfanylpropanamide
SMILESCC/C=C\CCCCCCCCCCSC(C)C(N)=O
InChIInChI=1S/C17H33NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(2)17(18)19/h4-5,16H,3,6-15H2,1-2H3,(H2,18,19)/b5-4-
InChIKeyFUIVYNOHWJIPAB-PLNGDYQASA-N
MW299.52 g/mol
LogP5.07
Rot. Bonds14

About 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide

2-[(Z)-tetradec-11-enyl]sulfanylpropanamide (PubChem CID 139930621) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[(Z)-tetradec-11-enyl]sulfanylpropanamide
PubChem CID139930621
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name2-[(Z)-tetradec-11-enyl]sulfanylpropanamide
SMILESCC/C=C\CCCCCCCCCCSC(C)C(N)=O
InChIInChI=1S/C17H33NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(2)17(18)19/h4-5,16H,3,6-15H2,1-2H3,(H2,18,19)/b5-4-
InChIKeyFUIVYNOHWJIPAB-PLNGDYQASA-N
XLogP5.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

octadec-15-enamide
CID 54276805
2-propylpentadec-12-enamide
CID 140789698
(E)-2-methyloctadec-9-enamide
CID 19371032
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
icosa-4,11,17-trienoic acid
CID 159256769
acetic acid;(Z)-dec-3-ene
CID 174912778
(3E,16E)-nonadeca-3,16-diene
CID 157471321
2-hexadecylicos-11-enamide
CID 173011844
octadec-15-enamide;octadec-9-enoic acid
CID 159102720
1-aminopropan-2-ol;(Z)-octadec-9-enamide
CID 174925516
2-methylicosa-11,14-dienamide
CID 175746328
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide?
The IUPAC name of 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide (CID 139930621) is 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide.
What is the SMILES notation for 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide?
The canonical SMILES for 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide is CC/C=C\CCCCCCCCCCSC(C)C(N)=O.
What is the InChIKey of 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide?
The InChIKey is FUIVYNOHWJIPAB-PLNGDYQASA-N. The full InChI is InChI=1S/C17H33NOS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16(2)17(18)19/h4-5,16H,3,6-15H2,1-2H3,(H2,18,19)/b5-4-.
What are the key properties of 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide?
2-[(Z)-tetradec-11-enyl]sulfanylpropanamide has a molecular weight of 299.52 g/mol, XLogP of 5.07, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-tetradec-11-enyl]sulfanylpropanamide is sourced from PubChem (CID 139930621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).